1-(3-chloranyl-4-methyl-phenyl)-3-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[[(2S)-2-(4-cyanophenoxy)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]thiourea Formula: C18H17ClN4O2S MolecularWeight: 388.87118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C(C)OC2=CC=C(C=C2)C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)[C@H](C)OC2=CC=C(C=C2)C#N)Cl

InChI

InChI=1S/C18H17ClN4O2S/c1-11-3-6-14(9-16(11)19)21-18(26)23-22-17(24)12(2)25-15-7-4-13(10-20)5-8-15/h3-9,12H,1-2H3,(H,22,24)(H2,21,23,26)/t12-/m0/s1